2-amino-1-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]ethanone;2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 2,4-dioxo-4-phenylbutanoate;1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(3-phenyl-1H-pyrazol-5-yl)butane-1,4-dione;N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-2H-pyrrole-5-carboxamide;methyl 3-phenyl-1H-pyrazole-5-carboxylate;1-phenylethanone;3-phenyl-1H-pyrazole-5-carboxylic acid;hydrochloride

C119H121ClF8N18O19 — CID 157073777

IUPAC2-amino-1-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]ethanone;2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 2,4-dioxo-4-phenylbutanoate;1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(3-phenyl-1H-pyrazol-5-yl)butane-1,4-dione;N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-2H-pyrrole-5-carboxamide;methyl 3-phenyl-1H-pyrazole-5-carboxylate;1-phenylethanone;3-phenyl-1H-pyrazole-5-carboxylic acid;hydrochloride
SMILESCC(=O)c1ccccc1.CCOC(=O)C(=O)CC(=O)c1ccccc1.COC(=O)c1cc(-c2ccccc2)n[nH]1.Cc1ccc(F)cc1C(=O)N1CCN(C(=O)CN)CC1.Cc1ccccc1C(=O)N1CCN(C(=O)CNC(=O)C2=NCC(c3ccccc3)=C2)CC1.Cl.NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.O=C(CCC(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1)c1cc(-c2ccccc2)n[nH]1.O=C(O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C25H22F4N4O3.C25H26N4O3.C14H16F3N3O2.C14H18FN3O2.C12H12O4.C11H10N2O2.C10H8N2O2.C8H8O.ClH/c26-17-6-7-19(25(27,28)29)18(14-17)24(36)33-12-10-32(11-13-33)23(35)9-8-22(34)21-15-20(30-31-21)16-4-2-1-3-5-16;1-18-7-5-6-10-21(18)25(32)29-13-11-28(12-14-29)23(30)17-27-24(31)22-15-20(16-26-22)19-8-3-2-4-9-19;15-14(16,17)11-4-2-1-3-10(11)13(22)20-7-5-19(6-8-20)12(21)9-18;1-10-2-3-11(15)8-12(10)14(20)18-6-4-17(5-7-18)13(19)9-16;1-2-16-12(15)11(14)8-10(13)9-6-4-3-5-7-9;1-15-11(14)10-7-9(12-13-10)8-5-3-2-4-6-8;13-10(14)9-6-8(11-12-9)7-4-2-1-3-5-7;1-7(9)8-5-3-2-4-6-8;/h1-7,14-15H,8-13H2,(H,30,31);2-10,15H,11-14,16-17H2,1H3,(H,27,31);1-4H,5-9,18H2;2-3,8H,4-7,9,16H2,1H3;3-7H,2,8H2,1H3;2-7H,1H3,(H,12,13);1-6H,(H,11,12)(H,13,14);2-6H,1H3;1H
InChIKeyIWVNJBPETPNNEC-UHFFFAOYSA-N
MW2294.82 g/mol
LogP14.78
Rot. Bonds25

About 2-amino-1-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]ethanone;2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 2,4-dioxo-4-phenylbutanoate;1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(3-phenyl-1H-pyrazol-5-yl)butane-1,4-dione;N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-2H-pyrrole-5-carboxamide;methyl 3-phenyl-1H-pyrazole-5-carboxylate;1-phenylethanone;3-phenyl-1H-pyrazole-5-carboxylic acid;hydrochloride

2-amino-1-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]ethanone;2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 2,4-dioxo-4-phenylbutanoate;1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(3-phenyl-1H-pyrazol-5-yl)butane-1,4-dione;N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-2H-pyrrole-5-carboxamide;methyl 3-phenyl-1H-pyrazole-5-carboxylate;1-phenylethanone;3-phenyl-1H-pyrazole-5-carboxylic acid;hydrochloride (PubChem CID 157073777) has the molecular formula C119H121ClF8N18O19 and a molecular weight of 2294.82 g/mol. Its IUPAC name is 2-amino-1-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]ethanone;2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 2,4-dioxo-4-phenylbutanoate;1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(3-phenyl-1H-pyrazol-5-yl)butane-1,4-dione;N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-2H-pyrrole-5-carboxamide;methyl 3-phenyl-1H-pyrazole-5-carboxylate;1-phenylethanone;3-phenyl-1H-pyrazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]ethanone;2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 2,4-dioxo-4-phenylbutanoate;1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(3-phenyl-1H-pyrazol-5-yl)butane-1,4-dione;N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-2H-pyrrole-5-carboxamide;methyl 3-phenyl-1H-pyrazole-5-carboxylate;1-phenylethanone;3-phenyl-1H-pyrazole-5-carboxylic acid;hydrochloride
PubChem CID157073777
Molecular FormulaC119H121ClF8N18O19
Molecular Weight2294.82 g/mol
Exact Mass2292.86
IUPAC Name2-amino-1-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]ethanone;2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 2,4-dioxo-4-phenylbutanoate;1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(3-phenyl-1H-pyrazol-5-yl)butane-1,4-dione;N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-2H-pyrrole-5-carboxamide;methyl 3-phenyl-1H-pyrazole-5-carboxylate;1-phenylethanone;3-phenyl-1H-pyrazole-5-carboxylic acid;hydrochloride
SMILESCC(=O)c1ccccc1.CCOC(=O)C(=O)CC(=O)c1ccccc1.COC(=O)c1cc(-c2ccccc2)n[nH]1.Cc1ccc(F)cc1C(=O)N1CCN(C(=O)CN)CC1.Cc1ccccc1C(=O)N1CCN(C(=O)CNC(=O)C2=NCC(c3ccccc3)=C2)CC1.Cl.NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.O=C(CCC(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1)c1cc(-c2ccccc2)n[nH]1.O=C(O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C25H22F4N4O3.C25H26N4O3.C14H16F3N3O2.C14H18FN3O2.C12H12O4.C11H10N2O2.C10H8N2O2.C8H8O.ClH/c26-17-6-7-19(25(27,28)29)18(14-17)24(36)33-12-10-32(11-13-33)23(35)9-8-22(34)21-15-20(30-31-21)16-4-2-1-3-5-16;1-18-7-5-6-10-21(18)25(32)29-13-11-28(12-14-29)23(30)17-27-24(31)22-15-20(16-26-22)19-8-3-2-4-9-19;15-14(16,17)11-4-2-1-3-10(11)13(22)20-7-5-19(6-8-20)12(21)9-18;1-10-2-3-11(15)8-12(10)14(20)18-6-4-17(5-7-18)13(19)9-16;1-2-16-12(15)11(14)8-10(13)9-6-4-3-5-7-9;1-15-11(14)10-7-9(12-13-10)8-5-3-2-4-6-8;13-10(14)9-6-8(11-12-9)7-4-2-1-3-5-7;1-7(9)8-5-3-2-4-6-8;/h1-7,14-15H,8-13H2,(H,30,31);2-10,15H,11-14,16-17H2,1H3,(H,27,31);1-4H,5-9,18H2;2-3,8H,4-7,9,16H2,1H3;3-7H,2,8H2,1H3;2-7H,1H3,(H,12,13);1-6H,(H,11,12)(H,13,14);2-6H,1H3;1H
InChIKeyIWVNJBPETPNNEC-UHFFFAOYSA-N
XLogP14.78
TPSA500.20 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002294.82
LogP ≤ 514.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-amino-1-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]ethanone;2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 2,4-dioxo-4-phenylbutanoate;1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(3-phenyl-1H-pyrazol-5-yl)butane-1,4-dione;N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-2H-pyrrole-5-carboxamide;methyl 3-phenyl-1H-pyrazole-5-carboxylate;1-phenylethanone;3-phenyl-1H-pyrazole-5-carboxylic acid;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

benzyl (3R)-3-[[1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]-4-[(3,5-dioxooxan-4-yl)amino]-4-oxobutanoate;benzyl (3R)-3-(imino-lambda3-chloranyl)-4-(morpholin-4-ylamino)-4-oxobutanoate;benzyl (3R)-3-methyl-4-(morpholin-4-ylamino)-4-oxobutanoate;(3R)-3-[[1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]-4-[(3,5-dioxooxan-4-yl)amino]-4-oxobutanoic acid;(2R)-2-methyl-4-oxo-4-phenylmethoxybutanoic acid
CID 158077149
lithium;4-O-benzyl 1-O-tert-butyl 2-O-methyl piperazine-1,2,4-tricarboxylate;1-O-tert-butyl 2-O-methyl 4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;copper;ethyl acetate;5-fluoro-2-(trifluoromethyl)benzoic acid;4-[5-fluoro-2-(trifluoromethyl)benzoyl]-1-[2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]acetyl]piperazine-2-carboxylic acid;methanol;methyl 4-[5-fluoro-2-(trifluoromethyl)benzoyl]-1-[2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]acetyl]piperazine-2-carboxylate;methyl 4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazine-2-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid;bis(4-phenylmethoxycarbonylpiperazine-2-carboxylic acid);2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]acetic acid;piperazine-2-carboxylic acid;hydroxide;tetrahydrochloride
CID 158529909
2-amino-1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 2,4-dioxo-4-phenylbutanoate;N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-3-phenyl-1H-pyrazole-5-carboxamide;methyl 3-phenyl-1H-pyrazole-5-carboxylate;N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide;1-phenylethanone;3-phenyl-1H-pyrazole-5-carboxylic acid;hydrochloride
CID 160104338
2-amino-1-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]ethanone;2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 2,4-dioxo-4-phenylbutanoate;N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-3-phenyl-1H-pyrazole-5-carboxamide;methyl 3-phenyl-1H-pyrazole-5-carboxylate;N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide;1-phenylethanone;3-phenyl-1H-pyrazole-5-carboxylic acid;hydrochloride
CID 161627149
ethyl 2,4-dioxo-4-phenylbutanoate;ethyl 2-oxopropanoate;ethyl 3-phenyl-1H-pyrazole-5-carboxylate;[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide;1-phenylethanone;3-phenyl-2H-pyrrole-5-carboxylic acid
CID 159040192
ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate;ethyl 3-(3-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate;ethyl 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylate;2-(3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;1-(3-fluorophenyl)ethanone
CID 159370568

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]ethanone;2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 2,4-dioxo-4-phenylbutanoate;1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(3-phenyl-1H-pyrazol-5-yl)butane-1,4-dione;N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-2H-pyrrole-5-carboxamide;methyl 3-phenyl-1H-pyrazole-5-carboxylate;1-phenylethanone;3-phenyl-1H-pyrazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 2-amino-1-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]ethanone;2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 2,4-dioxo-4-phenylbutanoate;1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(3-phenyl-1H-pyrazol-5-yl)butane-1,4-dione;N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-2H-pyrrole-5-carboxamide;methyl 3-phenyl-1H-pyrazole-5-carboxylate;1-phenylethanone;3-phenyl-1H-pyrazole-5-carboxylic acid;hydrochloride (CID 157073777) is 2-amino-1-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]ethanone;2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 2,4-dioxo-4-phenylbutanoate;1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(3-phenyl-1H-pyrazol-5-yl)butane-1,4-dione;N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-2H-pyrrole-5-carboxamide;methyl 3-phenyl-1H-pyrazole-5-carboxylate;1-phenylethanone;3-phenyl-1H-pyrazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]ethanone;2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 2,4-dioxo-4-phenylbutanoate;1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(3-phenyl-1H-pyrazol-5-yl)butane-1,4-dione;N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-2H-pyrrole-5-carboxamide;methyl 3-phenyl-1H-pyrazole-5-carboxylate;1-phenylethanone;3-phenyl-1H-pyrazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]ethanone;2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 2,4-dioxo-4-phenylbutanoate;1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(3-phenyl-1H-pyrazol-5-yl)butane-1,4-dione;N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-2H-pyrrole-5-carboxamide;methyl 3-phenyl-1H-pyrazole-5-carboxylate;1-phenylethanone;3-phenyl-1H-pyrazole-5-carboxylic acid;hydrochloride is CC(=O)c1ccccc1.CCOC(=O)C(=O)CC(=O)c1ccccc1.COC(=O)c1cc(-c2ccccc2)n[nH]1.Cc1ccc(F)cc1C(=O)N1CCN(C(=O)CN)CC1.Cc1ccccc1C(=O)N1CCN(C(=O)CNC(=O)C2=NCC(c3ccccc3)=C2)CC1.Cl.NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.O=C(CCC(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1)c1cc(-c2ccccc2)n[nH]1.O=C(O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-amino-1-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]ethanone;2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 2,4-dioxo-4-phenylbutanoate;1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(3-phenyl-1H-pyrazol-5-yl)butane-1,4-dione;N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-2H-pyrrole-5-carboxamide;methyl 3-phenyl-1H-pyrazole-5-carboxylate;1-phenylethanone;3-phenyl-1H-pyrazole-5-carboxylic acid;hydrochloride?
The InChIKey is IWVNJBPETPNNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N4O3.C25H26N4O3.C14H16F3N3O2.C14H18FN3O2.C12H12O4.C11H10N2O2.C10H8N2O2.C8H8O.ClH/c26-17-6-7-19(25(27,28)29)18(14-17)24(36)33-12-10-32(11-13-33)23(35)9-8-22(34)21-15-20(30-31-21)16-4-2-1-3-5-16;1-18-7-5-6-10-21(18)25(32)29-13-11-28(12-14-29)23(30)17-27-24(31)22-15-20(16-26-22)19-8-3-2-4-9-19;15-14(16,17)11-4-2-1-3-10(11)13(22)20-7-5-19(6-8-20)12(21)9-18;1-10-2-3-11(15)8-12(10)14(20)18-6-4-17(5-7-18)13(19)9-16;1-2-16-12(15)11(14)8-10(13)9-6-4-3-5-7-9;1-15-11(14)10-7-9(12-13-10)8-5-3-2-4-6-8;13-10(14)9-6-8(11-12-9)7-4-2-1-3-5-7;1-7(9)8-5-3-2-4-6-8;/h1-7,14-15H,8-13H2,(H,30,31);2-10,15H,11-14,16-17H2,1H3,(H,27,31);1-4H,5-9,18H2;2-3,8H,4-7,9,16H2,1H3;3-7H,2,8H2,1H3;2-7H,1H3,(H,12,13);1-6H,(H,11,12)(H,13,14);2-6H,1H3;1H.
What are the key properties of 2-amino-1-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]ethanone;2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 2,4-dioxo-4-phenylbutanoate;1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(3-phenyl-1H-pyrazol-5-yl)butane-1,4-dione;N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-2H-pyrrole-5-carboxamide;methyl 3-phenyl-1H-pyrazole-5-carboxylate;1-phenylethanone;3-phenyl-1H-pyrazole-5-carboxylic acid;hydrochloride?
2-amino-1-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]ethanone;2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 2,4-dioxo-4-phenylbutanoate;1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(3-phenyl-1H-pyrazol-5-yl)butane-1,4-dione;N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-2H-pyrrole-5-carboxamide;methyl 3-phenyl-1H-pyrazole-5-carboxylate;1-phenylethanone;3-phenyl-1H-pyrazole-5-carboxylic acid;hydrochloride has a molecular weight of 2294.82 g/mol, XLogP of 14.78, 25 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]ethanone;2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 2,4-dioxo-4-phenylbutanoate;1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(3-phenyl-1H-pyrazol-5-yl)butane-1,4-dione;N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-2H-pyrrole-5-carboxamide;methyl 3-phenyl-1H-pyrazole-5-carboxylate;1-phenylethanone;3-phenyl-1H-pyrazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 157073777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).